4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide

C18H16N2O4 — CID 54676680

IUPAC4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-20-14-6-4-3-5-13(14)16(21)15(18(20)23)17(22)19-11-7-9-12(24-2)10-8-11/h3-10,21H,1-2H3,(H,19,22)
InChIKeyCENDRMDHKCMYQR-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.51
Rot. Bonds3

About 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54676680) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54676680
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-20-14-6-4-3-5-13(14)16(21)15(18(20)23)17(22)19-11-7-9-12(24-2)10-8-11/h3-10,21H,1-2H3,(H,19,22)
InChIKeyCENDRMDHKCMYQR-UHFFFAOYSA-N
XLogP2.51
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 54676680) is 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide is COc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is CENDRMDHKCMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-20-14-6-4-3-5-13(14)16(21)15(18(20)23)17(22)19-11-7-9-12(24-2)10-8-11/h3-10,21H,1-2H3,(H,19,22).
What are the key properties of 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).